24,25,26,27-tetranor-23-oxo-hydroxyvitamin D3

Properties Image MNX_ID MNXM730938 reference biggM:CE6027 formula C23H34O3 global charge 0 mol weight 358.522 InChIKey AOVGFTJYESGAEA-VZEJBDIDSA-N InChI InChI=1S/C23H34O3/c1-15(10-12-24)20-8-9-21-17(5-4-11-23(20,21)3)6-7-18-13-19(25)14-22(26)16(18)2/h6-7,12,15,19-22,25-26H,2,4-5,8-11,13-14H2,1,3H3/b17-6?,18-7-/t15-,19+,20-,21+,22+,23?/m0/s1 SMILES C=C1/C(=C\C=C2CCCC3(C)[C@@H]2CC[C@H]3[C@@H](C)CC=O)C[C@@H](O)C[C@H]1O MNX internals InChI (mnx) InChI=1/C23H34O3/c1-15(10-12-24)20-8-9-21-17(5-4-11-23(20,21)3)6-7-18-13-19(25)14-22(26)16(18)2/h6-7,12,15,19-22,25-26H,2,4-5,8-11,13-14H2,1,3H3/b17-6+,18-7-/t15-,19+,20-,21+,22+,23?/m0/s1 SMILES (mnx) [CH3:1][C@@H:15]([CH2:10][CH:12]=[O:24])[C@@H:20]1[CH2:8][CH2:9][C@@H:21]2/[C:17](=[CH:6]/[CH:7]=[C:18]3/[CH2:13][C@@H:19]([OH:25])[CH2:14][C@@H:22]([OH:26])[C:16]3=[CH2:2])[CH2:5][CH2:4][CH2:11][C:23]12[CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 2